2-(4-methylpiperazin-1-yl)-1-(5-methylthiophen-2-yl)pentan-1-one

C15H24N2OS — CID 13019232

IUPAC2-(4-methylpiperazin-1-yl)-1-(5-methylthiophen-2-yl)pentan-1-one
SMILESCCCC(C(=O)c1ccc(C)s1)N1CCN(C)CC1
InChIInChI=1S/C15H24N2OS/c1-4-5-13(17-10-8-16(3)9-11-17)15(18)14-7-6-12(2)19-14/h6-7,13H,4-5,8-11H2,1-3H3
InChIKeyHZZJIFPPWLPBDD-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.66
Rot. Bonds5

About 2-(4-methylpiperazin-1-yl)-1-(5-methylthiophen-2-yl)pentan-1-one

2-(4-methylpiperazin-1-yl)-1-(5-methylthiophen-2-yl)pentan-1-one (PubChem CID 13019232) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-1-(5-methylthiophen-2-yl)pentan-1-one.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-1-(5-methylthiophen-2-yl)pentan-1-one
PubChem CID13019232
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name2-(4-methylpiperazin-1-yl)-1-(5-methylthiophen-2-yl)pentan-1-one
SMILESCCCC(C(=O)c1ccc(C)s1)N1CCN(C)CC1
InChIInChI=1S/C15H24N2OS/c1-4-5-13(17-10-8-16(3)9-11-17)15(18)14-7-6-12(2)19-14/h6-7,13H,4-5,8-11H2,1-3H3
InChIKeyHZZJIFPPWLPBDD-UHFFFAOYSA-N
XLogP2.66
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-1-(5-methylthiophen-2-yl)pentan-1-one?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-1-(5-methylthiophen-2-yl)pentan-1-one (CID 13019232) is 2-(4-methylpiperazin-1-yl)-1-(5-methylthiophen-2-yl)pentan-1-one.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-1-(5-methylthiophen-2-yl)pentan-1-one?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-1-(5-methylthiophen-2-yl)pentan-1-one is CCCC(C(=O)c1ccc(C)s1)N1CCN(C)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-1-(5-methylthiophen-2-yl)pentan-1-one?
The InChIKey is HZZJIFPPWLPBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-4-5-13(17-10-8-16(3)9-11-17)15(18)14-7-6-12(2)19-14/h6-7,13H,4-5,8-11H2,1-3H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-1-(5-methylthiophen-2-yl)pentan-1-one?
2-(4-methylpiperazin-1-yl)-1-(5-methylthiophen-2-yl)pentan-1-one has a molecular weight of 280.44 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-1-(5-methylthiophen-2-yl)pentan-1-one is sourced from PubChem (CID 13019232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).